1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium (CHEBI:143328)

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CHEBI:143328 - 1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium

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ChEBI ID	CHEBI:143328
ChEBI Name	1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C23H28N5O6
Net Charge	+1
Average Mass	470.506
Monoisotopic Mass	470.20341
SMILES	CC(C)(C#N)c1cc(Cn2c[n+](C3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cn2)cc(C(C)(C)C#N)c1
InChI	InChI=1S/C23H27N5O6/c1-22(2,9-24)14-5-13(6-15(7-14)23(3,4)10-25)8-28-12-27(11-26-28)20-18(31)16(29)17(30)19(34-20)21(32)33/h5-7,11-12,16-20,29-31H,8H2,1-4H3/p+1/t16-,17-,18+,19-,20?/m0/s1
InChIKey	ZVXRGZPUPOVAKU-ZZTJXEITSA-O

ChEBI Ontology

Outgoing Relation(s)
	1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium (CHEBI:143328) has functional parent anastrozole (CHEBI:2704)
	1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium (CHEBI:143328) is a triazoles (CHEBI:35727)